Geometry & MOs

Info

ID:	239601
PubChem CID:	93166775
Reduced:	ClSN2O3C25H33 (1)
Stoich.:	ABC2D3E25F33 (1)
Weight, g/mol:	524.190042
ΔH_f, kcal/mol:	-125.27
Dipole, Da:	4.09
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

CCC(=O)N(CCC(C)C)CC(=O)N1CCC2=C([C@@H]1COC3=CC(=C(C=C3)Cl)C)C=CS2

DOS

IR

Vibrations